First principles calculations of H-storage in sorption materials

Journal of Materials Science

Volumn 47, Issue 21, 2012, Pages 7356-7366

  Singh, Abhishek Kumar ^a   Yakobson, Boris I ^b,c  

^a INDIAN INSTITUTE OF SCIENCE   (India)

^b Rice University   (United States)

^c RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMBIENT CONDITIONS; CHEMICAL BONDINGS; FIRST-PRINCIPLES CALCULATION; HYDROGEN STORAGE MEDIA; LARGE SURFACE AREA; LIGHT WEIGHT; MATERIALS DESIGN; STORAGE SYSTEMS;

BINDING ENERGY; CARBON; HYDROGEN; HYDROGEN STORAGE; SORPTION;

MATERIALS;

EID: 84865235906     PISSN: 00222461     EISSN: 15734803     Source Type: Journal    
DOI: 10.1007/s10853-012-6551-7     Document Type: Review

References (95)

1. Crabtree GW, Dresselhaus MS, Buchanan MV (2004) Phys Today 39
2. Schlapbach L, Züttel A (2001) Nature 414:353
3. http://www1.eere.energy.gov/hydrogenandfuelcells/storage/pdfs/ targets-onboard-hydro-storage-explanation.pdf (2009)
4. Dillon AC, Jones KM, Bekkedahl TA, Kiang CH, Bethune DS, Heben MJ (1997) Nature 386:377
5. Ding F, Lin Y, Krasnov PO, Yakobson BI (2007) J Chem Phys 127:164703
6. Ye Y, Ahn CC, Witham C et al (1999) Appl Phys Lett 74:2307
7. Liu C, Fan YY, Liu M, Cong HT, Cheng HM, Dresselhaus MS (1999) Science 286:1127
8. Yoon M, Yang S, Wang E, Zhang Z (2007) Nano Lett 7:2578
9. Pupysheva OV, Farajian AA, Yakobson BI (2008) Nano Lett 8:767
10. Sandrock G (1999) J Alloy Compd 293:877
11. Schüth F, Bogdanovi B, Felderhoff M (2004) Chem Commun 2249
12. Orimo S-i, Nakamori Y, Eliseo JR, Zuttel A, Jensen CM (2007) Chem Rev 107:4111
13. Rowsell JLC, Yaghi OM (2006) J Am Chem Soc 128:1304
14. Dinca M, Long JR (2008) Angew Chem Int Ed 47:6766
15. Kubas GJ (1988) J Acc Chem Res 21:120
16. Niu J, Rao BK, Jena P (1992) Phys Rev Lett 68:2277
17. Gagliardi L, Pyykkö P (2004) J Am Chem Soc 126:15014
18. Yildirim T, Ciraci S (2005) Phys Rev Lett 94:175501
19. Zhao Y, Kim Y-H, Dillon AC, Heben MJ, Zhang SB (2005) Phys Rev Lett 94:155504
20. Michael P (2001) J Organomet Chem 635:1
21. Gregory JK (2001) J Organomet Chem 635:37
22. Tast F, Malinowski N, Frank S, Heinebrodt M, Billas IML, Martin TP (1996) Phys Rev Lett 77:3529
23. Zhang Y, Dai H (2000) Appl Phys Lett 77:3015
24. Yildirim T, Íñiguez J, Ciraci S (2005) Phys Rev B 72:153403
25. Sun Q, Jena P, Wang Q, Marquez M (2006) J Am Chem Soc 128:9741
26. Kim Y-H, Zhao Y, Williamson A, Heben MJ, Zhang SB (2006) Phys Rev Lett 96:016102
27. Yoon M, Yang S, Hicke C, Wang E, Geohegan D, Zhang Z (2008) Phys Rev Lett 100:206806
28. Zhou W, Yildirim T, Durgun E, Ciraci S (2007) Phys Rev B 76:085434
29. Phillips AB, Shivaram BS (2008) Phys Rev Lett 100:105505
30. Sorokin PB, Lee H, Antipina LY, Singh AK, Yakobson BI (2011) Nano Lett 11:2660
31. Sun Q, Wang Q, Jena P, Kawazoe Y (2005) J Am Chem Soc 127:14582
32. Krasnov PO, Ding F, Singh AK, Yakobson BI (2007) J Phys Chem C 111:17977
33. Philipsen PHT, Baerends EJ (1996) Phys Rev B 54:5326
34. Cotton FA, Wilkinson G, Murillo CA, Bochmann M (1999) Advanced inorganic chemistry. Wiley-Interscience, New York
35. Hawthorne MF, Zink JI, Skelton JM et al (2004) Science 303:1849
36. Singh AK, Sadrzadeh A, Yakobson BI (2010) J Am Chem Soc 132:14126
37. Farha OK, Spokoyny AM, Mulfort KL, Hawthorne MF, Mirkin CA, Hupp JT (2007) J Am Chem Soc 129:12680
38. Spokoyny AM, Farha OK, Mulfort KL, Galli S, Hupp JT, Mirkin CA (2009) Small 5:1727
39. Hamaed A, Trudeau M, Antonelli DM (2008) J Am Chem Soc 130:6992
40. Dinca M, Dailly A, Liu Y, Brown CM, Neumann DA, Long JR (2006) J Am Chem Soc 128:16876
41. Hoang TKA, Webb MI, Mai HV et al (2010) J Am Chem Soc 132:11792
42. Vitillo JG, Regli L, Chavan S et al (2008) J Am Chem Soc 130:8386
43. Shevlin SA, Guo ZX (2008) J Phys Chem C 112:17456
44. Wang L, Lee K, Sun Y-Y et al (2009) ACS Nano 3:2995
45. Cha J, Lim S, Choi CH, Cha M-H, Park N (2009) Phys Rev Lett 103:216102
46. Bajdich M, Reboredo FA, Kent PRC (2010) Phys Rev B 82:081405
47. Sun YY, Lee K, Wang L et al (2010) Phys Rev B 82:073401
48. Kiran B, Kandalam AK, Jena P (2006) J Chem Phys 124:224703
49. Durgun E, Jang Y-R, Ciraci S (2007) Phys Rev B 76:073413
50. Lueking AD, Yang RT (2004) Appl Catal A 265:259
51. Li Y, Yang RT (2005) J Am Chem Soc 128:726
52. Zacharia R, Kim KY, Kibria AKMF, Nahm KS (2005) Chem Phys Lett 412:369
53. Kim B-J, Lee Y-S, Park S-J (2008) J Colloid Interface Sci 318:530
54. Conner WC, Pajonk GM, Teichner SJ (1986) Spillover of sorbed species. Academic Press, Orlando
55. Lachawiec AJ, Qi G, Yang RT (2005) Langmuir 21:11418
56. Lueking AD, Yang RT (2002) J Catal 206:165
57. Chen CH, Huang CC (2008) Microporous Mesoporous Mater 112:553
58. Yang FH, Yang RT (2002) Carbon 40:437
59. Anson A, Lafuente E, Urriolabeitia E et al (2006) J Phys Chem B 110:6643
60. Yoo E, Gao L, Komatsu T et al (2004) J Phys Chem B 108:18903
61. Kim HS, Lee H, Han KS et al (2005) J Phys Chem B 109:8983
62. Kim BJ, Lee YS, Park SJ (2008) Int J Hydrogen Energy 33:4112
63. Reddy ALM, Ramaprabhu S (2008) Int J Hydrogen Energy 33:1028
64. Wu H, Wexler D, Ranjbartoreh AR, Liu H, Wang G (2010) Int J Hydrogen Energy 35:6345
65. Lin KY, Tsai WT, Yang TJ J Power Sources
66. Back CK, Sandi G, Prakash J, Hranisavljevic J (2009) J Phys Chem B 110:16225
67. Lupu D, Biris AR, Misan I, Jianu A, Holzhuter G, Burkel E (2004) Int J Hydrogen Energy 29:97
68. Díaz E, León M, Ordóñez S (2010) Int J Hydrogen Energy 35:4576
69. Marella M, Tomaselli M (2006) Carbon 44:1404
70. Contescu CI, Brown CM, Liu Y, Bhat VV, Gallego NC (2009) J Phys Chem C 113:5886
71. Li Y, Yang RT (2007) J Phys Chem C 111:11086
72. Lachawiec AJ, DiRamondo TR, Yang RT (2008) Rev Sci Instrum 79:063906
73. Tsao CS, Liu Y, Li M et al (2010) J Phys Chem Lett 1:1569
74. Tsao CS, Tzeng YR, MS Yu et al (2010) J Phys Chem Lett 1:1060
75. Zielinski M, Wojcieszak R, Monteverdi S, Mercy M, Bettahar MM (2005) Catal Commun 6:777
76. Li Y, Yang RT, Liu Cj, Wang Z (2007) Ind Eng Chem Res 46:8277
77. Li Y, Yang RT (2006) J Am Chem Soc 128:8136
78. Stuckert N, Wang L, Yang RT (2010) Langmuir 26:11963
79. Miller MA, Wang CY, Merrill GN (2009) J Phys Chem C 113:3222
80. Zlotea C, Campesi R, Cuevas F et al (2010) J Am Chem Soc 132:2991
81. Proch S, Herrmannsdofer J, Kempe R et al (2008) Chem Eur J 14:8204
82. Li Y, Yang RT (2008) AIChE J 54:269
83. Wang L, Yang RT (2010) Catal Rev 52:411
84. Sofo J, Chaudhari A, Barber G (2007) Phys Rev B 75:4
85. Stojkovic D, Zhang P, Lammert P, Crespi V (2003) Phys Rev B 68:5
86. Lin Y, Ding F, Yakobson BI (2008) Phys Rev B 78:041402
87. Suri M, Dornfeld M, Ganz E (2009) J Chem Phys 131:174703
88. Zhou C, Wu J, Nie A, Forrey RC, Tachibana A, Cheng H (2007) J Phys Chem C 111:12773
89. Chen L, Cooper AC, Pez GP, Cheng H (2007) J Phys Chem C 111:5514
90. Singh AK, Ribas MA, Yakobson BI (2009) ACS Nano 3:1657
91. Sha X, Knippenberg MT, Cooper AC, Pez GP, Cheng H (2008) J Phys Chem C 112:17465
92. Jónsson H, Mills G, Jacobsen KW (1998) Nudged elastic band method for finding minimum energy paths of transitions. World Scientific, Singapore
93. Glasstone S, Laidler KJ, Eyring H (1941) The theory of rate processes. McGraw-Hill Book Co., New York
94. Duplock EJ, Scheffler M, Linda PJD (2004) Phys Rev Lett 92:225502
95. Lee K, Kim Y-H, Sun YY et al (2010) Phys Rev Lett 104:236101